Toluene

Toluene

SCHEMBL1998096

Cc1ccccc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
TSHR P16473 2/20 0.61
LMNA P02545 1/20 0.61
ALOX12 P18054 1/20 0.61
MAOA P21397 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMO O15229 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
KMT2A Q03164 1/20 0.46
DHODH Q02127 2/20 0.46
COMT P21964 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MGLL Q99685 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
P-Xylene SCHEMBL1420077 0.94 ACHE (0.53) ACHETSHRLMNAALOX12MAOA
M-Xylene SCHEMBL1420161 0.92 ACHE (0.63) ACHETSHRLMNAALOX12MAOA
SCHEMBL19503240 0.92 TSHR (0.55) ACHETSHRLMNAALOX12MAOA
SCHEMBL20829312 0.92 DHODH (0.53) ACHETSHRLMNAALOX12MAOA
SCHEMBL28043537 0.90 TSHR (0.53) ACHETSHRLMNAALOX12MAOA
SCHEMBL28376833 0.89 MAOA (0.56) ACHETSHRLMNAALOX12MAOA
SCHEMBL200730 0.89 ACHE (0.58) ACHETSHRLMNAALOX12MAOA
Benzene SCHEMBL27980187 0.89 ACHE (0.58) ACHETSHRLMNAALOX12MAOA
SCHEMBL29699277 0.89 ACHE (0.58) ACHETSHRLMNAALOX12MAOA
Biphenyl SCHEMBL28828599 0.88 ACHE (0.79) ACHETSHRLMNAALOX12ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9010318-B2 Extended-range heat transfer fluid using variable composition WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-20110146959-A1 EXTENDED-RANGE HEAT TRANSFER FLUID USING VARIABLE COMPOSITION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-06-23 US disclosed